UCSF

ZINC25509808

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 3.18 -45.61 0 9 -1 115 478.572 6
Mid Mid (pH 6-8) 1.23 3.11 -21.14 1 9 0 113 479.58 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )